Water-Mediated Surface Diffusion Mechanism Enables the Cold Sintering Process: A Combined Computational and Experimental Study

Mert Y. Sengul, Jing Guo, Clive A. Randall, Adri C.T. van Duin

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The cold sintering process (CSP) densifies ceramics at much lower temperatures than conventional sintering processes. Several ceramics and composite systems have been successfully densified under cold sintering. For the grain growth kinetics of zinc oxide, reduced activation energies are shown, and yet the mechanism behind this growth is unknown. Herein, we investigate these mechanisms in more detail with experiments and ReaxFF molecular dynamics simulations. We investigated the recrystallization of zinc cations under various acidic conditions and found that their adsorption to the surface can be a rate-limiting factor for cold sintering. Our studies show that surface hydroxylation in CSP does not inhibit crystallization; in contrast, by creating a surface complex, it creates an orders of magnitude acceleration in surface diffusion, and in turn, accelerates recrystallization.

Original languageEnglish (US)
Pages (from-to)12420-12424
Number of pages5
JournalAngewandte Chemie - International Edition
Volume58
Issue number36
DOIs
StatePublished - Jan 1 2019

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Surface diffusion
Sintering
Water
Zinc Oxide
Hydroxylation
Growth kinetics
Crystallization
Zinc oxide
Grain growth
Molecular dynamics
Cations
Zinc
Large scale systems
Activation energy
Positive ions
Adsorption
Computer simulation
Experiments
Temperature

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)

Cite this

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abstract = "The cold sintering process (CSP) densifies ceramics at much lower temperatures than conventional sintering processes. Several ceramics and composite systems have been successfully densified under cold sintering. For the grain growth kinetics of zinc oxide, reduced activation energies are shown, and yet the mechanism behind this growth is unknown. Herein, we investigate these mechanisms in more detail with experiments and ReaxFF molecular dynamics simulations. We investigated the recrystallization of zinc cations under various acidic conditions and found that their adsorption to the surface can be a rate-limiting factor for cold sintering. Our studies show that surface hydroxylation in CSP does not inhibit crystallization; in contrast, by creating a surface complex, it creates an orders of magnitude acceleration in surface diffusion, and in turn, accelerates recrystallization.",
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